# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 103.79 8.84 14.04 23.71 113.89 -158.73 -85.41 135.36 99.81 0.17 0.02 99.69 0.15 0.04 0.01 0.00 0.00 0.08 0.04 1 A C C 59.80 8.21 13.70 23.00 114.91 -136.81 -84.83 140.18 94.99 4.26 0.74 93.01 1.24 1.05 0.27 0.28 0.00 1.65 2.50 2 A C C 65.53 6.78 16.73 24.67 118.46 -121.58 -90.11 139.22 95.40 3.44 1.16 76.47 16.76 2.21 0.32 0.79 0.00 1.82 1.63 3 P C C 32.39 19.10 11.58 30.25 114.41 -109.17 -71.07 142.76 92.47 5.59 1.94 80.56 9.04 2.53 0.55 1.39 0.00 2.71 3.22 4 Q C C 88.79 5.87 21.67 28.03 108.87 -143.73 -99.60 108.97 89.18 9.90 0.92 83.39 3.94 1.08 0.34 0.47 0.00 3.28 7.51 5 F C T 54.94 19.10 13.18 31.86 94.12 -168.58 -66.44 -23.26 97.68 1.31 1.01 7.58 11.74 78.31 0.11 0.99 0.00 0.85 0.43 6 H C T 110.59 8.07 17.98 26.57 94.38 59.74 -84.33 -8.28 98.69 0.55 0.76 4.09 17.91 76.62 0.06 0.78 0.00 0.37 0.17 7 R C C 107.05 6.09 18.08 25.31 110.05 55.69 -118.62 92.65 94.02 5.72 0.26 50.72 42.95 0.77 0.06 0.21 0.00 2.36 2.94 8 P C T 36.67 19.05 11.52 30.07 94.59 -172.38 -65.28 -22.03 75.69 1.50 22.81 18.05 6.36 47.20 0.53 26.55 0.00 0.93 0.36 9 S C T 76.09 5.22 19.78 25.98 92.35 69.27 -77.88 -11.94 73.99 2.15 23.86 6.97 9.50 54.08 0.55 26.93 0.00 1.54 0.43 10 T C G 58.57 9.04 19.31 28.98 101.60 58.55 -98.59 2.53 62.54 9.03 28.42 26.81 14.73 21.54 1.14 27.97 0.01 5.85 1.95 11 I C C 11.99 23.25 12.51 35.75 117.12 110.42 -99.09 126.00 79.42 20.18 0.40 66.55 12.19 0.33 0.25 0.19 0.00 7.70 12.77 12 T C C 53.50 6.16 25.55 31.61 129.84 -167.87 -118.06 161.63 90.40 9.37 0.23 88.81 2.22 0.10 0.19 0.05 0.00 4.21 4.42 13 A H H 25.16 19.46 14.38 33.42 91.65 -106.75 -59.10 -37.56 5.99 0.05 93.96 0.68 0.90 4.66 90.27 3.43 0.03 0.02 0.02 14 D H H 99.07 2.14 21.52 23.08 91.37 54.78 -64.04 -38.93 4.30 0.03 95.67 0.34 0.41 3.65 91.18 4.37 0.02 0.01 0.01 15 N H H 55.60 9.45 18.76 29.03 92.28 49.50 -67.50 -38.05 3.04 0.04 96.92 0.44 0.29 2.29 91.48 5.45 0.01 0.03 0.02 16 V H H 3.10 26.08 12.30 38.49 91.84 50.35 -67.41 -37.24 3.40 0.06 96.54 0.52 0.35 2.51 91.34 5.21 0.01 0.04 0.02 17 R H H 124.00 10.28 17.93 28.62 91.81 62.60 -63.85 -29.35 32.42 0.07 67.51 0.81 0.96 31.01 63.51 3.58 0.04 0.03 0.05 18 A C T 84.03 1.95 20.34 21.64 93.17 54.37 -81.57 -11.03 63.98 0.04 35.98 1.10 1.45 61.32 33.69 2.39 0.00 0.01 0.04 19 L C S 40.40 17.25 11.69 28.53 117.03 92.07 -83.42 139.31 97.38 0.69 1.93 28.34 67.44 1.28 1.93 0.19 0.00 0.14 0.68 20 G C C 31.06 4.73 23.08 27.63 122.39 -113.80 -74.38 164.36 98.48 0.93 0.59 98.19 0.38 0.14 0.49 0.03 0.00 0.21 0.57 21 M H H 47.85 20.09 15.04 34.25 91.83 -101.39 -59.11 -38.19 2.01 0.01 97.98 0.42 0.24 1.17 97.76 0.40 0.00 0.00 0.00 22 R H H 127.71 6.86 21.70 29.29 91.50 54.78 -62.86 -39.76 0.77 0.00 99.23 0.09 0.05 0.52 98.97 0.36 0.00 0.00 0.00 23 G H H 20.69 8.00 21.62 30.83 91.31 50.78 -64.81 -40.33 0.42 0.00 99.58 0.10 0.04 0.24 99.18 0.44 0.00 0.00 0.00 24 L H H 4.25 24.52 18.47 43.09 91.31 50.37 -63.58 -43.78 0.09 0.00 99.91 0.01 0.00 0.04 99.88 0.05 0.00 0.00 0.00 25 V H H 21.03 19.22 21.59 40.09 91.26 49.77 -62.89 -42.84 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.03 0.00 0.00 0.00 26 L H H 79.69 5.14 25.80 31.08 91.27 50.22 -63.84 -42.02 0.15 0.00 99.85 0.01 0.00 0.11 99.82 0.05 0.00 0.00 0.00 27 A H H 18.88 14.34 22.04 36.68 91.59 49.80 -64.01 -42.54 0.46 0.00 99.54 0.03 0.02 0.37 99.40 0.19 0.00 0.00 0.00 28 T H H 3.37 25.23 18.57 43.79 91.41 49.07 -64.48 -41.14 1.81 0.00 98.18 0.10 0.09 1.56 97.53 0.73 0.00 0.00 0.00 29 N H H 57.59 13.19 20.89 33.89 91.26 53.05 -68.90 -27.56 15.56 0.03 84.41 0.57 0.62 14.26 83.20 1.31 0.02 0.01 0.02 30 N C T 95.96 4.55 22.91 27.76 94.63 52.22 -89.67 -7.95 54.13 0.17 45.70 3.62 3.43 45.30 45.01 2.42 0.02 0.06 0.13 31 A C C 16.17 20.52 12.02 31.89 110.18 103.49 -74.09 122.70 64.73 1.81 33.46 34.72 19.86 11.50 24.23 7.78 0.03 0.61 1.27 32 Q H H 111.09 5.27 21.17 26.94 98.29 -131.90 -71.11 -25.76 46.57 1.49 51.94 19.26 10.28 17.01 27.10 24.79 0.06 0.74 0.76 33 F H G 79.33 11.65 17.52 29.36 97.71 55.68 -74.09 -18.90 43.68 2.27 54.05 18.62 8.57 16.71 26.16 27.67 0.10 1.22 0.96 34 I H G 39.77 17.34 14.38 31.11 102.38 66.76 -83.05 19.99 45.22 4.55 50.22 23.76 8.61 13.48 24.85 24.85 0.10 2.60 1.75 35 M C C 86.66 10.03 15.04 25.62 102.81 64.44 -90.42 7.77 59.99 5.70 34.30 28.92 15.21 17.15 18.69 14.10 0.24 2.60 3.11 36 D C C 76.28 6.21 13.40 21.04 110.77 106.31 -93.33 107.10 90.11 3.74 6.15 57.05 23.97 8.63 3.20 2.80 0.00 1.36 2.98 37 N C T 119.22 4.04 11.32 17.08 96.04 -140.49 -69.44 -8.17 96.16 0.46 3.38 12.02 16.54 67.66 0.73 2.54 0.00 0.26 0.26 38 S C T 92.37 1.23 13.39 14.38 97.39 63.16 -86.76 -4.91 97.06 0.55 2.40 11.95 19.40 65.66 0.38 2.04 0.00 0.32 0.25 39 Y C S 101.97 8.28 9.89 19.80 117.61 76.69 -107.82 126.07 94.64 4.07 1.29 40.36 51.48 2.84 0.46 0.72 0.00 1.42 2.72 40 P C C 88.62 4.80 14.82 20.86 111.29 -129.21 -72.32 142.26 96.60 1.70 1.69 73.48 18.90 4.19 0.87 0.74 0.00 0.78 1.05 41 H C C 78.81 11.81 12.30 24.70 116.31 -130.66 -93.47 133.07 92.49 1.27 6.25 70.99 17.42 3.65 5.32 1.24 0.00 0.47 0.90 42 P C H 68.13 9.10 14.66 24.86 100.61 -119.72 -65.92 -22.23 53.87 0.82 45.32 35.47 6.42 12.05 40.62 4.65 0.00 0.35 0.44 43 H H H 134.77 3.80 18.19 22.81 96.73 36.35 -69.92 -27.30 29.27 0.38 70.35 11.39 5.41 13.67 64.69 4.43 0.03 0.18 0.20 44 G H H 26.48 9.81 18.48 28.73 97.80 49.17 -65.05 -40.68 24.11 0.48 75.41 11.44 4.61 9.60 69.65 4.22 0.03 0.24 0.21 45 T H H 25.00 18.95 16.88 34.83 94.00 50.94 -67.65 -38.04 11.56 0.33 88.11 6.93 2.02 3.63 84.97 2.16 0.01 0.17 0.12 46 Q H H 76.11 11.93 22.11 33.47 92.37 53.57 -63.72 -41.24 5.04 0.10 94.86 2.63 0.83 1.94 93.62 0.90 0.00 0.04 0.04 47 G H H 27.75 5.24 24.39 30.07 91.61 50.94 -64.12 -41.35 3.44 0.06 96.51 1.57 0.47 1.48 95.83 0.60 0.00 0.03 0.02 48 A H H 13.16 15.98 21.36 37.78 91.76 51.21 -63.43 -42.65 1.47 0.02 98.51 0.66 0.16 0.64 98.18 0.33 0.00 0.01 0.01 49 V H H 16.58 21.01 22.27 42.36 91.22 50.71 -63.10 -42.86 0.54 0.01 99.46 0.23 0.05 0.23 99.39 0.10 0.00 0.00 0.00 50 R H H 92.21 12.11 25.77 37.49 91.38 50.80 -63.18 -41.99 0.25 0.00 99.75 0.07 0.02 0.12 99.75 0.04 0.00 0.00 0.00 51 E H H 70.96 9.73 26.76 36.84 91.52 49.58 -64.93 -41.83 0.13 0.00 99.87 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 52 F H H 19.22 21.49 24.18 44.69 91.69 49.38 -64.04 -43.66 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 53 L H H 14.29 22.17 24.81 45.86 91.51 48.78 -64.18 -42.63 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 54 R H H 92.22 10.48 27.95 38.95 91.61 49.99 -63.71 -42.26 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 55 G H H 14.30 13.09 26.34 39.91 91.62 50.01 -64.26 -42.62 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.01 0.00 0.00 0.00 56 Q H H 19.93 20.99 26.59 46.51 91.80 49.22 -64.99 -42.26 0.22 0.00 99.78 0.02 0.01 0.15 99.81 0.02 0.00 0.00 0.00 57 A H H 13.93 18.95 25.36 43.78 91.59 50.74 -63.74 -42.14 0.30 0.00 99.70 0.03 0.01 0.20 99.73 0.02 0.00 0.00 0.00 58 A H H 41.79 7.52 28.42 37.13 91.57 50.44 -63.33 -42.26 0.39 0.00 99.61 0.03 0.02 0.26 99.66 0.03 0.00 0.00 0.00 59 A H H 18.64 14.66 25.19 40.08 91.48 50.28 -64.17 -42.50 0.41 0.00 99.59 0.04 0.02 0.27 99.63 0.05 0.00 0.00 0.00 60 L H H 16.64 21.91 23.29 44.26 91.76 49.99 -64.96 -41.95 0.37 0.00 99.62 0.05 0.02 0.22 99.64 0.06 0.00 0.00 0.00 61 T H H 43.14 12.51 24.52 36.82 91.58 50.62 -63.56 -42.36 0.44 0.00 99.55 0.06 0.03 0.27 99.57 0.07 0.00 0.00 0.00 62 D H H 71.69 5.36 26.55 31.96 91.62 49.22 -64.59 -41.31 0.79 0.00 99.21 0.10 0.05 0.52 99.20 0.12 0.00 0.00 0.00 63 L H H 22.36 15.59 20.30 36.32 92.00 50.67 -64.33 -42.37 1.21 0.01 98.79 0.20 0.10 0.78 98.55 0.37 0.00 0.00 0.00 64 G H H 13.65 16.34 17.49 33.88 92.29 51.86 -63.63 -41.53 3.08 0.02 96.90 0.44 0.26 2.21 96.24 0.82 0.01 0.01 0.01 65 V H H 85.16 4.25 20.63 25.03 93.04 49.22 -67.02 -38.51 7.17 0.06 92.77 0.91 0.72 5.48 91.52 1.29 0.03 0.03 0.03 66 T H H 76.68 4.32 18.79 23.27 94.31 46.73 -73.81 -29.91 16.38 0.18 83.44 2.11 2.11 12.53 81.46 1.53 0.08 0.07 0.10 67 H H H 58.47 12.75 12.51 25.69 101.32 45.57 -94.98 2.54 46.50 1.59 51.91 14.90 7.09 26.49 46.14 3.57 0.17 0.68 0.96 68 A C T 60.38 8.14 12.59 21.80 97.61 91.23 -65.81 -19.32 55.13 1.94 42.93 10.94 5.80 37.48 31.12 12.13 0.21 0.92 1.39 69 N C T 128.79 1.51 15.33 16.69 96.16 32.57 -78.10 8.87 64.55 0.54 34.92 4.89 6.68 51.42 23.90 12.32 0.09 0.26 0.46 70 N C T 99.04 6.39 12.23 20.03 100.34 -70.00 1.97 29.86 70.87 1.42 27.71 14.05 14.10 43.17 15.49 11.52 0.07 0.66 0.94 71 T C S 83.35 5.20 14.12 20.63 100.38 118.54 -88.94 -23.05 83.42 6.94 9.65 21.04 33.49 29.56 5.73 3.37 0.09 3.27 3.45 72 F C S 82.76 11.93 11.36 23.76 117.93 44.37 -109.22 127.40 83.03 12.86 4.11 31.87 41.39 10.20 2.18 1.82 0.04 5.64 6.86 73 A C C 69.79 4.05 18.97 23.70 117.69 -133.22 -82.13 144.34 95.60 4.02 0.38 81.55 13.07 1.15 0.13 0.26 0.00 2.89 0.94 74 P C C 64.54 14.72 12.18 26.51 113.37 -107.84 -68.88 141.08 93.86 5.41 0.72 76.96 14.96 1.76 0.28 0.46 0.00 3.20 2.38 75 Q C C 89.12 7.65 17.45 26.22 123.98 -159.64 -114.62 142.00 86.04 13.20 0.76 67.07 17.70 0.92 0.39 0.41 0.00 6.19 7.31 76 P C C 79.69 7.69 17.45 26.00 112.50 -104.29 -66.24 144.64 85.27 7.48 7.26 64.35 11.71 8.95 1.71 5.83 0.00 5.16 2.29 77 M C C 65.54 15.25 13.77 28.50 102.36 -139.54 -87.95 2.56 84.23 6.76 9.01 41.32 24.72 18.79 1.73 7.04 0.02 3.46 2.92 78 F C C 85.47 11.93 13.82 25.95 115.52 36.54 -104.88 122.74 74.24 17.24 8.52 41.29 19.96 13.23 2.38 5.97 0.07 7.49 9.59 79 A C C 56.28 7.64 13.04 21.90 112.99 -139.52 -91.96 137.99 81.37 12.45 6.17 52.89 19.38 8.80 1.95 4.24 0.01 6.51 6.22 80 G C T 51.82 3.91 12.99 18.36 103.22 -126.76 -69.41 -32.96 89.31 2.77 7.93 18.53 26.56 44.73 1.80 5.73 0.01 1.57 1.07 81 D C T 117.61 2.01 13.83 16.33 100.68 31.53 -91.07 5.55 88.42 1.77 9.82 21.22 25.76 42.08 2.71 6.44 0.01 0.86 0.93 82 A C C 42.01 9.45 10.46 21.31 113.95 104.97 -91.48 133.97 79.99 3.50 16.52 49.92 23.06 7.27 8.70 7.23 0.01 1.30 2.51 83 A H G 66.34 5.92 14.32 21.61 95.00 -143.32 -65.11 -25.14 40.02 1.27 58.71 14.91 7.16 18.11 25.30 33.19 0.05 0.65 0.63 84 A H G 45.16 10.55 12.86 24.26 94.66 62.79 -73.19 -19.09 23.79 0.69 75.52 6.75 3.67 12.42 29.92 46.57 0.03 0.42 0.22 85 E H G 95.55 8.65 15.12 24.62 93.82 75.40 -68.68 -26.90 16.56 0.66 82.78 4.78 2.69 8.49 32.40 51.04 0.01 0.44 0.14 86 W H G 133.58 7.81 16.48 24.94 95.67 55.87 -80.01 -14.02 25.13 1.99 72.89 6.71 4.70 13.51 28.34 44.78 0.12 1.25 0.59 87 L C H 67.07 11.79 15.25 27.34 100.40 67.11 -87.44 1.86 48.25 7.55 44.20 21.07 15.09 13.70 21.59 20.77 0.60 3.49 3.68 88 R C C 96.19 11.10 15.75 27.36 117.50 107.17 -91.53 134.90 76.47 5.82 17.71 45.07 25.87 6.08 13.08 4.43 0.06 2.52 2.90 89 P C C 55.67 10.72 15.31 26.81 110.40 -104.47 -68.50 147.07 62.86 3.55 33.59 36.90 8.67 17.13 19.51 14.22 0.03 2.13 1.42 90 S C T 62.14 8.55 16.70 25.72 98.42 -129.35 -75.01 -20.50 53.86 5.13 41.01 19.58 12.61 22.53 22.30 17.69 0.32 2.83 2.15 91 F C T 96.16 9.55 15.89 25.86 103.86 55.42 -87.65 -4.59 53.53 5.46 41.01 12.37 14.22 27.35 21.99 17.60 0.90 2.85 2.71 92 G C T 27.43 9.63 16.98 27.27 105.59 20.22 35.98 -33.34 62.57 4.80 32.63 22.23 14.57 27.41 20.52 10.46 0.27 2.52 2.02 93 L H H 57.27 13.98 14.54 28.27 95.48 62.38 -68.74 -32.05 42.09 5.92 52.00 23.91 8.37 11.18 31.93 18.91 0.19 3.55 1.96 94 K H H 106.83 9.18 16.14 25.78 94.99 63.93 -68.82 -27.61 31.72 6.61 61.67 14.81 6.61 11.72 33.57 26.84 0.29 4.52 1.64 95 R H H 133.36 6.37 17.16 24.15 97.17 57.20 -79.46 -18.97 36.00 6.25 57.75 14.64 7.43 14.94 30.91 25.81 0.37 4.14 1.75 96 T C H 62.28 10.42 16.05 26.80 101.77 49.18 -94.46 -10.24 47.11 7.00 45.89 18.37 11.07 19.49 24.34 19.60 0.48 4.10 2.56 97 Y C C 75.00 14.16 13.27 27.54 118.96 74.73 -104.35 129.91 84.41 8.15 7.43 39.65 39.58 5.52 4.98 2.18 0.02 3.15 4.92 98 S C C 50.32 8.29 16.49 25.92 113.10 -132.83 -85.55 128.56 97.33 2.09 0.59 85.94 9.96 1.49 0.22 0.32 0.00 1.23 0.83 99 P C T 69.58 10.75 13.95 25.49 97.93 -135.07 -68.50 -11.22 91.02 1.93 7.05 34.25 19.89 37.47 1.46 5.11 0.00 1.14 0.67 100 F C T 123.05 6.93 15.10 22.84 103.08 68.31 -85.77 16.80 84.37 7.06 8.57 28.54 21.18 35.92 1.63 6.29 0.01 4.76 1.68 101 V C C 77.64 8.09 13.71 22.96 113.17 115.04 -95.23 118.53 74.73 17.18 8.09 51.16 15.93 7.18 2.19 6.19 0.01 12.82 4.52 102 V C C 74.22 9.63 11.70 22.41 117.21 -160.85 -99.21 133.19 75.66 21.92 2.42 65.94 6.43 2.13 1.14 1.35 0.00 17.87 5.14 103 R C C 149.54 4.48 13.02 19.43 118.29 -152.47 -101.94 135.24 80.66 18.29 1.06 71.09 7.47 1.28 0.49 0.61 0.00 12.57 6.48 104 D C C 93.88 5.47 11.35 18.56 114.75 -116.80 -82.31 135.29 96.13 3.64 0.23 85.02 10.76 0.56 0.08 0.13 0.00 2.67 0.78 105 P C C 88.31 5.58 10.44 17.83 111.63 -109.12 -67.70 141.59 96.90 1.90 1.20 84.78 7.19 4.95 0.31 0.88 0.00 1.25 0.64 106 K C C 151.04 2.59 10.79 15.16 112.44 -128.99 -94.11 122.08 96.52 2.37 1.11 75.71 15.46 5.02 0.29 0.89 0.00 1.06 1.56 107 T C C 84.42 4.59 8.82 15.43 117.76 -153.81 -98.85 138.91 97.93 1.56 0.51 75.26 21.32 1.36 0.15 0.34 0.00 0.67 0.89 108 P C C 95.39 3.43 9.14 14.52 109.92 -105.55 -66.68 146.22 96.85 1.04 2.11 62.61 12.47 21.44 0.34 2.10 0.00 0.61 0.44 109 S C C 91.72 1.81 8.32 11.73 109.12 -123.27 -84.08 122.82 96.13 2.04 1.83 55.86 18.07 21.87 0.28 1.89 0.00 1.01 1.01 110 T C C 100.63 2.58 7.92 12.41 115.16 -110.80 -97.49 127.28 98.46 1.41 0.13 90.34 7.52 0.68 0.04 0.08 0.00 0.65 0.70 111 P C C 104.15 2.55 10.83 15.05 111.40 -106.87 -69.84 145.57 99.88 0.10 0.02 99.65 0.20 0.07 0.01 0.00 0.00 0.04 0.02